SCHEMBL6617818

SCHEMBL6617818

CC(C)(C)OCC1CNc2ccc(Br)cc2C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.35
CES1 P23141 1/20 0.35
TP53 P04637 4/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
LRRK2 Q5S007 2/20 0.33
PARP10 Q53GL7 2/20 0.33
AGTR1 P30556 1/20 0.33
PARP1 P09874 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
ALPL P05186 1/20 0.32
NQO2 P16083 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP2 O95551 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
PARP11 Q9NR21 1/20 0.31
CA4 P22748 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6615411 0.75 PNMT (0.45) MEN1KMT2A
SCHEMBL6618360 0.75 MEN1 (0.42) TGM2CES1TP53MAPTLRRK2
SCHEMBL3498369 0.70 P2RX7 (0.34)
SCHEMBL23615507 0.67 TGM2 (0.52) TGM2CES1MAPTLRRK2PARP10
SCHEMBL6616628 0.65 FNTA (0.40)
SCHEMBL12077602 0.64 NPC1 (0.47) TGM2CES1TP53LMNAPARP10
SCHEMBL12077604 0.64 NPC1 (0.47) TGM2CES1TP53LMNAPARP10
SCHEMBL23615596 0.63 TGM2 (0.50) TGM2CES1MAPTLRRK2PARP10
SCHEMBL14716852 0.62 TSHR (0.40) PARP10PARP1MEN1KMT2AKDM4E
SCHEMBL12291114 0.62 TSHR (0.40) PARP10PARP1MEN1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed